T500-0102 Screening compound: 1-{1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-phenylethan-1-one

T500-0102 Screening compound: 1-{1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-phenylethan-1-one
T500-0102 Screening compound: 1-{1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-0102
1-{1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-phenylethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T500-0102

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

1-{1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-phenylethan-1-one

IUPAC name

1-{1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-phenylethan-1-one

SMILES

O=C(Cc1ccccc1)N(CC1)CCC11OCCCC1

InChI

InChI=1S/C17H23NO2/c19-16(14-15-6-2-1-3-7-15)18-11-9-17(10-12-18)8-4-5-13-20-17/h1-3,6-7H,4-5,8-14H2

InChI Key

SHCSHHUTBXHZSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.446

Water Solubility, LogSw

-2.37

Polar Surface Area

22.961

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

T500-0102 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T500-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-0102?
Check Price and Availability of T500-0102, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T500-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-0102
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T500-0102 available by request